CID 3009331

Chembl22315

Structural Information

Molecular Formula
C10H14N5O4P
SMILES
C=C(CN1C=NC2=C(N=CN=C21)N)COCP(=O)(O)O
InChI
InChI=1S/C10H14N5O4P/c1-7(3-19-6-20(16,17)18)2-15-5-14-8-9(11)12-4-13-10(8)15/h4-5H,1-3,6H2,(H2,11,12,13)(H2,16,17,18)
InChIKey
RKQJLRCOPVQNSC-UHFFFAOYSA-N
Compound name
2-[(6-aminopurin-9-yl)methyl]prop-2-enoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.07834 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08562 167.1
[M+Na]+ 322.06756 175.0
[M-H]- 298.07106 163.0
[M+NH4]+ 317.11216 178.0
[M+K]+ 338.04150 172.0
[M+H-H2O]+ 282.07560 156.6
[M+HCOO]- 344.07654 188.6
[M+CH3COO]- 358.09219 199.5
[M+Na-2H]- 320.05301 169.4
[M]+ 299.07779 169.2
[M]- 299.07889 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.